dichlorozirconium;phenylazanide

C6H6Cl2NZr- — CID 141048821

IUPACdichlorozirconium;phenylazanide
SMILESCl[Zr]Cl.[NH-]c1ccccc1
InChIInChI=1S/C6H6N.2ClH.Zr/c7-6-4-2-1-3-5-6;;;/h1-5,7H;2*1H;/q-1;;;+2/p-2
InChIKeyHRISGROXZBFLGK-UHFFFAOYSA-L
MW254.25 g/mol
LogP3.75
Rot. Bonds

About dichlorozirconium;phenylazanide

dichlorozirconium;phenylazanide (PubChem CID 141048821) has the molecular formula C6H6Cl2NZr- and a molecular weight of 254.25 g/mol. Its IUPAC name is dichlorozirconium;phenylazanide.

Molecular Properties

Compound Namedichlorozirconium;phenylazanide
PubChem CID141048821
Molecular FormulaC6H6Cl2NZr-
Molecular Weight254.25 g/mol
Exact Mass251.89
IUPAC Namedichlorozirconium;phenylazanide
SMILESCl[Zr]Cl.[NH-]c1ccccc1
InChIInChI=1S/C6H6N.2ClH.Zr/c7-6-4-2-1-3-5-6;;;/h1-5,7H;2*1H;/q-1;;;+2/p-2
InChIKeyHRISGROXZBFLGK-UHFFFAOYSA-L
XLogP3.75
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;phenylazanide?
The IUPAC name of dichlorozirconium;phenylazanide (CID 141048821) is dichlorozirconium;phenylazanide.
What is the SMILES notation for dichlorozirconium;phenylazanide?
The canonical SMILES for dichlorozirconium;phenylazanide is Cl[Zr]Cl.[NH-]c1ccccc1.
What is the InChIKey of dichlorozirconium;phenylazanide?
The InChIKey is HRISGROXZBFLGK-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6N.2ClH.Zr/c7-6-4-2-1-3-5-6;;;/h1-5,7H;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;phenylazanide?
dichlorozirconium;phenylazanide has a molecular weight of 254.25 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;phenylazanide is sourced from PubChem (CID 141048821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).